CID 154700024

Ns00117737

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

CCNCC1=CC(=O)OC2=C1C=CC(=C2)O

InChI

InChI=1S/C12H13NO3/c1-2-13-7-8-5-12(15)16-11-6-9(14)3-4-10(8)11/h3-6,13-14H,2,7H2,1H3

InChIKey

VMNKFSGMVYPKAC-UHFFFAOYSA-N

Compound name

4-(ethylaminomethyl)-7-hydroxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.08954 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.09682	145.6
[M+Na]+	242.07876	159.3
[M+NH4]+	237.12336	153.7
[M+K]+	258.05270	153.0
[M-H]-	218.08226	149.6
[M+Na-2H]-	240.06421	151.6
[M]+	219.08899	148.7
[M]-	219.09009	148.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.